SCHEMBL6561712

SCHEMBL6561712

CCCc1cccc2c1c(OCCCSc1ccc(CC(=O)O)cc1Cl)cn2CC

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.55
PPARG P37231 9/20 0.55
PPARA Q07869 9/20 0.55
NR1H2 P55055 4/20 0.51
NR1H3 Q13133 4/20 0.51
LTB4R Q15722 2/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
SLC22A12 Q96S37 2/20 0.36
MCL1 Q07820 4/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6561770 0.92 PPARD (0.46) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6559248 0.79 PPARD (0.39) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6934158 0.77 PPARD (0.66) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6936596 0.76 PPARG (0.59) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7074267 0.76 PPARA (0.61) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6931450 0.76 PPARG (0.61) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6931405 0.76 PPARD (0.69) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6560627 0.74 PPARG (0.53) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6934429 0.73 PPARA (0.58) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6936235 0.73 PPARD (0.67) PPARDPPARGPPARANR1H2NR1H3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed
EP-0904079-A4 1999-05-06 EP disclosed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP disclosed
US-5859051-A ACETYLPHENOL DERIVATIVES MERCK & CO., INC. (US) 1999-01-12 US disclosed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed